2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol

C18H21Cl2NO — CID 1487207

IUPAC2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol
SMILESCC[C@@H](C)NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21Cl2NO/c1-3-13(2)21-12-18(22,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,21-22H,3,12H2,1-2H3/t13-/m1/s1
InChIKeyBQRBPWDQFAYRAI-CYBMUJFWSA-N
MW338.28 g/mol
LogP4.62
Rot. Bonds6

About 2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol

2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol (PubChem CID 1487207) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is 2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol
PubChem CID1487207
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC Name2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol
SMILESCC[C@@H](C)NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21Cl2NO/c1-3-13(2)21-12-18(22,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,21-22H,3,12H2,1-2H3/t13-/m1/s1
InChIKeyBQRBPWDQFAYRAI-CYBMUJFWSA-N
XLogP4.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2-bis(4-chlorophenyl)-2-hydroxyethyl]-[(2S)-butan-2-yl]azanium
CID 7091513
2-(butan-2-ylamino)-2-(4-chlorophenyl)propan-1-ol
CID 61049008
2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol
CID 82040356
N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115716554
1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol
CID 143373788
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
3-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-one
CID 112510179
2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol
CID 82312960
1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
CID 115723893
N-[2-(4-chlorophenyl)sulfanylethyl]butan-2-amine
CID 60684285
3-(4-chlorophenyl)-2-ethyl-3-hydroxybutanenitrile
CID 79130917
[1-[[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamic acid
CID 170437308

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol?
The IUPAC name of 2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol (CID 1487207) is 2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol?
The canonical SMILES for 2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol is CC[C@@H](C)NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol?
The InChIKey is BQRBPWDQFAYRAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21Cl2NO/c1-3-13(2)21-12-18(22,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,21-22H,3,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol?
2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol has a molecular weight of 338.28 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol is sourced from PubChem (CID 1487207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).